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Chemical ID: 7090415
Chemical ID:
7090415
Name [?]:
1-(3-morpholinopropyl)-1,4-diazepane
SMILES [?]:
C1CNCCN(C1)CCCN2CCOCC2
InChi [?]:
InChI=1/C12H25N3O/c1-3-13-4-8-14(5-1)6-2-7-15-9-11-16-12-10-15/h13H,1-12H2
InChi Info:
AuxInfo=1/0/N:1,9,2,4,7,8,10,5,12,16,13,15,3,6,11,14/E:(9,10)(11,12)/rA:16cCCNCCNCCCCNCCOCC/rB:s1;s2;s3;s4;s5;s1s6;s6;s8;s9;s10;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H25N3O |
All Atoms: | 41 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.58604 |
Area: | 421.695 |
Solvation: | -2.95633 |
Coulombic: | -26.2026 |
Bond Count [?]
All: | 17 |
Single: | 17 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 227.347 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.36 |
LogP (Chemaxon): | -0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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